SCHEMBL1844871

SCHEMBL1844871

COC(=O)CC(O)(CCN(CCc1ccccc1Cl)C(=O)OC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.38
AOC3 Q16853 1/20 0.36
PLAAT3 P53816 2/20 0.36
PLAAT5 Q96KN8 2/20 0.36
PLAAT2 Q9NWW9 2/20 0.36
PLAAT4 Q9UL19 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34
KCNN4 O15554 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1845524 0.80 HDAC1 (0.39) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1845523 0.80 HDAC1 (0.39) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1846498 0.75 TAAR1 (0.37) TAAR1KCNN4KCNJ6KCNJ5KCNJ3
SCHEMBL3710698 0.71 BCL2 (0.39) KCNN4
SCHEMBL958265 0.71 UTS2R (0.39)
SCHEMBL24451337 0.70 KCNN4 (0.49) HIF1AKCNN4
SCHEMBL3709009 0.69 HDAC1 (0.39) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL3709010 0.69 HDAC1 (0.39) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL18801994 0.67 PLAAT3 (0.49) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL5348780 0.67 TAAR1 (0.50) TAAR1PLAAT3PLAAT5PLAAT2PLAAT4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2324017-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed